General Information of the Compound
| Compound ID |
CP0545183
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| Compound Name |
US10047103, 152
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| Structure |
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| Formula |
C28H28N6O6S2
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| Molecular Weight |
608.702
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)N(C)CC#N)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H28N6O6S2/c1-33(9-8-29)24(35)16-4-6-28(36,7-5-16)25-30-17(15-41-25)14-39-21-10-18(37-2)11-22-19(21)12-23(40-22)20-13-34-26(31-20)42-27(32-34)38-3/h10-13,15-16,36H,4-7,9,14H2,1-3H3
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| InChIKey |
SBAHBPUZCJUMPW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound